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C#CCC

Predicted BDE: 79.6 kcal/mol

Similar DFT-Calculated Bonds

C#CCC

BDE(DFT): 79.6 kcal/mol
Distance: 0.00

CCc1ncccc1CO

BDE(DFT): 79.8 kcal/mol
Distance: 0.39

CCc1cc(F)ncc1C

BDE(DFT): 79.5 kcal/mol
Distance: 0.42

CC/C(C)=N/CC(C)C

BDE(DFT): 79.4 kcal/mol
Distance: 0.43

CC/C(C)=N/CCO

BDE(DFT): 79.6 kcal/mol
Distance: 0.43

C=CC/N=C(\C)CC

BDE(DFT): 79.5 kcal/mol
Distance: 0.44

CCc1nc(Cl)ccc1C

BDE(DFT): 79.3 kcal/mol
Distance: 0.44

CCc1nnccc1C

BDE(DFT): 80.1 kcal/mol
Distance: 0.44

CC/C(C)=N/C

BDE(DFT): 79.5 kcal/mol
Distance: 0.45

CCc1ccnc(F)c1C

BDE(DFT): 79.5 kcal/mol
Distance: 0.45